4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

C16H13F3N4S — CID 46943745

IUPAC4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESNC(c1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C16H13F3N4S/c17-16(18,19)11-6-7-13(21-8-11)23-15-22-12(9-24-15)14(20)10-4-2-1-3-5-10/h1-9,14H,20H2,(H,21,22,23)
InChIKeyKIHLIQOMTIAFCL-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.35
Rot. Bonds4

About 4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 46943745) has the molecular formula C16H13F3N4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID46943745
Molecular FormulaC16H13F3N4S
Molecular Weight350.37 g/mol
Exact Mass350.08
IUPAC Name4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESNC(c1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C16H13F3N4S/c17-16(18,19)11-6-7-13(21-8-11)23-15-22-12(9-24-15)14(20)10-4-2-1-3-5-10/h1-9,14H,20H2,(H,21,22,23)
InChIKeyKIHLIQOMTIAFCL-UHFFFAOYSA-N
XLogP4.35
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 46943745) is 4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is NC(c1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is KIHLIQOMTIAFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4S/c17-16(18,19)11-6-7-13(21-8-11)23-15-22-12(9-24-15)14(20)10-4-2-1-3-5-10/h1-9,14H,20H2,(H,21,22,23).
What are the key properties of 4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 350.37 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 46943745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).